propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate

C24H27NO6 — CID 67467097

About propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate

propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate (PubChem CID 67467097) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
• PubChem CID: 67467097
• Molecular Formula: C24H27NO6
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.18
• IUPAC Name: propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate
• SMILES: COc1ccc(-c2cccc3c2CNC3=O)c(OCC2(C(=O)OC(C)C)CC2)c1OC
• InChI: InChI=1S/C24H27NO6/c1-14(2)31-23(27)24(10-11-24)13-30-20-16(8-9-19(28-3)21(20)29-4)15-6-5-7-17-18(15)12-25-22(17)26/h5-9,14H,10-13H2,1-4H3,(H,25,26)
• InChIKey: SSHOPVKRLVTLPF-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 83.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate?

The IUPAC name of propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate (CID 67467097) is propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate.

What is the SMILES notation for propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate?

The canonical SMILES for propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate is COc1ccc(-c2cccc3c2CNC3=O)c(OCC2(C(=O)OC(C)C)CC2)c1OC.

What is the InChIKey of propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate?

The InChIKey is SSHOPVKRLVTLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-14(2)31-23(27)24(10-11-24)13-30-20-16(8-9-19(28-3)21(20)29-4)15-6-5-7-17-18(15)12-25-22(17)26/h5-9,14H,10-13H2,1-4H3,(H,25,26).

What are the key properties of propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate?

propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate has a molecular weight of 425.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroisoindol-4-yl)phenoxy]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67467097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).